N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide

C21H23N5O3S — CID 176830557

IUPACN-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide
SMILESCc1nc(C)c(Oc2nc(-c3cncc(C4CC4)c3)ccc2NS(C)(=O)=O)c(C)n1
InChIInChI=1S/C21H23N5O3S/c1-12-20(13(2)24-14(3)23-12)29-21-19(26-30(4,27)28)8-7-18(25-21)17-9-16(10-22-11-17)15-5-6-15/h7-11,15,26H,5-6H2,1-4H3
InChIKeyQSKRZRRTDNJWEZ-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.90
Rot. Bonds6

About N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide

N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide (PubChem CID 176830557) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide
PubChem CID176830557
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide
SMILESCc1nc(C)c(Oc2nc(-c3cncc(C4CC4)c3)ccc2NS(C)(=O)=O)c(C)n1
InChIInChI=1S/C21H23N5O3S/c1-12-20(13(2)24-14(3)23-12)29-21-19(26-30(4,27)28)8-7-18(25-21)17-9-16(10-22-11-17)15-5-6-15/h7-11,15,26H,5-6H2,1-4H3
InChIKeyQSKRZRRTDNJWEZ-UHFFFAOYSA-N
XLogP3.90
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

N-[6-(5-cyano-3-pyridinyl)-2-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidin-5-yl]oxy-3-pyridinyl]methanesulfonamide
CID 176830686
N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830892
N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide
CID 176830628
N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830696
N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830776
6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide
CID 176830572
N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide
CID 176830664
6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide
CID 176830563
[3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176875005
N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
CID 177181366
N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
CID 176830881
6-cyclopropyl-N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]naphthalene-2-carboxamide
CID 25010416

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide (CID 176830557) is N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide is Cc1nc(C)c(Oc2nc(-c3cncc(C4CC4)c3)ccc2NS(C)(=O)=O)c(C)n1.
What is the InChIKey of N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide?
The InChIKey is QSKRZRRTDNJWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-12-20(13(2)24-14(3)23-12)29-21-19(26-30(4,27)28)8-7-18(25-21)17-9-16(10-22-11-17)15-5-6-15/h7-11,15,26H,5-6H2,1-4H3.
What are the key properties of N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide?
N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide has a molecular weight of 425.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 176830557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).